(3-amino-2,2-dimethylpyrrolidin-1-yl)-(2,4-difluorophenyl)methanone

C13H16F2N2O — CID 115275243

IUPAC(3-amino-2,2-dimethylpyrrolidin-1-yl)-(2,4-difluorophenyl)methanone
SMILESCC1(C)C(N)CCN1C(=O)c1ccc(F)cc1F
InChIInChI=1S/C13H16F2N2O/c1-13(2)11(16)5-6-17(13)12(18)9-4-3-8(14)7-10(9)15/h3-4,7,11H,5-6,16H2,1-2H3
InChIKeyWNWZRMPZFKKOPD-UHFFFAOYSA-N
MW254.28 g/mol
LogP1.92
Rot. Bonds1

About (3-amino-2,2-dimethylpyrrolidin-1-yl)-(2,4-difluorophenyl)methanone

(3-amino-2,2-dimethylpyrrolidin-1-yl)-(2,4-difluorophenyl)methanone (PubChem CID 115275243) has the molecular formula C13H16F2N2O and a molecular weight of 254.28 g/mol. Its IUPAC name is (3-amino-2,2-dimethylpyrrolidin-1-yl)-(2,4-difluorophenyl)methanone.

Molecular Properties

Compound Name(3-amino-2,2-dimethylpyrrolidin-1-yl)-(2,4-difluorophenyl)methanone
PubChem CID115275243
Molecular FormulaC13H16F2N2O
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC Name(3-amino-2,2-dimethylpyrrolidin-1-yl)-(2,4-difluorophenyl)methanone
SMILESCC1(C)C(N)CCN1C(=O)c1ccc(F)cc1F
InChIInChI=1S/C13H16F2N2O/c1-13(2)11(16)5-6-17(13)12(18)9-4-3-8(14)7-10(9)15/h3-4,7,11H,5-6,16H2,1-2H3
InChIKeyWNWZRMPZFKKOPD-UHFFFAOYSA-N
XLogP1.92
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-amino-2,2-dimethylpyrrolidin-1-yl)-(2,5-difluorophenyl)methanone
CID 115275242
(3-amino-2,2-dimethylpiperidin-1-yl)-(2,5-difluorophenyl)methanone
CID 115275913
(4-amino-2,2-dimethylpiperidin-1-yl)-(2,4-difluorophenyl)methanone
CID 115276129
(4-amino-3,3-dimethylpiperidin-1-yl)-(2,4-difluorophenyl)methanone
CID 115276649
(2,4-difluorophenyl)-(4-hydroxy-2,2-dimethylpiperidin-1-yl)methanone
CID 115275985
(4-amino-2,2-dimethylpiperidin-1-yl)-(2,5-difluorophenyl)methanone
CID 115276128
(3-amino-2,2-dimethylpyrrolidin-1-yl)-(3-fluoro-4-methoxyphenyl)methanone
CID 115275231
(3-aminopyrrolidin-1-yl)-(2,4-difluorophenyl)methanone
CID 62069041
(2,4-difluorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 588075
(4-amino-3,3-dimethylpiperidin-1-yl)-(2,5-difluorophenyl)methanone
CID 115276648
(3-amino-2,2-dimethylpyrrolidin-1-yl)-naphthalen-1-ylmethanone
CID 115275261
[4-(1-aminoethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone
CID 63595679

Frequently Asked Questions

What is the IUPAC name of (3-amino-2,2-dimethylpyrrolidin-1-yl)-(2,4-difluorophenyl)methanone?
The IUPAC name of (3-amino-2,2-dimethylpyrrolidin-1-yl)-(2,4-difluorophenyl)methanone (CID 115275243) is (3-amino-2,2-dimethylpyrrolidin-1-yl)-(2,4-difluorophenyl)methanone.
What is the SMILES notation for (3-amino-2,2-dimethylpyrrolidin-1-yl)-(2,4-difluorophenyl)methanone?
The canonical SMILES for (3-amino-2,2-dimethylpyrrolidin-1-yl)-(2,4-difluorophenyl)methanone is CC1(C)C(N)CCN1C(=O)c1ccc(F)cc1F.
What is the InChIKey of (3-amino-2,2-dimethylpyrrolidin-1-yl)-(2,4-difluorophenyl)methanone?
The InChIKey is WNWZRMPZFKKOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O/c1-13(2)11(16)5-6-17(13)12(18)9-4-3-8(14)7-10(9)15/h3-4,7,11H,5-6,16H2,1-2H3.
What are the key properties of (3-amino-2,2-dimethylpyrrolidin-1-yl)-(2,4-difluorophenyl)methanone?
(3-amino-2,2-dimethylpyrrolidin-1-yl)-(2,4-difluorophenyl)methanone has a molecular weight of 254.28 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2,2-dimethylpyrrolidin-1-yl)-(2,4-difluorophenyl)methanone is sourced from PubChem (CID 115275243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).